Geometry & MOs

Info

ID:

311141

PubChem CID:

126589605

Reduced:

FN8O9C34H37 (1)

Stoich.:

AB8C9D34E37 (1)

Weight, g/mol:

1103.491668

ΔHf, kcal/mol:

-369.86

Dipole, Da:

9.82

IP(EA), eV:

 -9.23(-1.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 4-[[2-[2-[[2-[2-[[3-amino-1-(10-ethyl-18-fluoro-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-22-yl)-3-oxopropyl]amino]prop-2-enylamino]-2-oxoethyl]amino]prop-2-enylamino]-2-oxoethyl]amino]-3-(1,2-didehydro-9H-fluoren-9-ylmethoxycarbonylamino)pent-4-enoate

Drug info:

PubChemData

Smile

CC1=C(C=C2C3=C1CC[C@@H](C3=C4CN5C(=CC6=C(C5=O)COC(=O)C6OC)C4=N2)NC(=O)CCNC(=O)CNC(=O)CNC(=O)CNC(=O)CN)F

DOS

IR

Vibrations