Geometry & MOs

Info

ID:

442841

PubChem CID:

135256525

Reduced:

BrClFN4O4C33H35 (1)

Stoich.:

ABCD4E4F33G35 (1)

Weight, g/mol:

684.15142

ΔHf, kcal/mol:

-166.55

Dipole, Da:

6.95

IP(EA), eV:

 -9.02(-1.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[(10R,14S)-14-[[3-(6-bromo-3-chloro-2-fluorophenyl)-3-oxopropyl]amino]-10-methyl-9-oxo-8,16-diazatetracyclo[13.7.1.02,7.017,22]tricosa-1(23),2(7),3,5,15,17(22)-hexaen-5-yl]carbamate

Drug info:

PubChemData

Smile

CC1CCCC(C2=NC3=C(CCCC3)C(=C2)C4=C(C=C(C=C4)NC(=O)OC)NC1=O)NCCC(=O)C5=C(C=CC(=C5F)Cl)Br

DOS

IR

Vibrations