Geometry & MOs

Info

ID:

222944

PubChem CID:

85333414

Reduced:

P3N4C18O19H29 (1)

Stoich.:

A3B4C18D19E29 (1)

Weight, g/mol:

695.226114

ΔHf, kcal/mol:

-1034.35

Dipole, Da:

10.17

IP(EA), eV:

 -10.07(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-amino-5-[[1-[(2-ethoxy-2-oxoethyl)amino]-3-[(19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl)methylsulfanyl]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

C1CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)N4CCC(=O)NC4=O)O)O)O

DOS

IR

Vibrations