Geometry & MOs

Info

ID:	417557
PubChem CID:	135102034
Reduced:	N3C9H13 (2)
Stoich.:	A3B9C13 (2)
Weight, g/mol:	712.358448
ΔH_f, kcal/mol:	69.18
Dipole, Da:	3.96
IP(EA), eV:	-8.63(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(6S,9R,12R,15S)-6-benzyl-4,9-dimethyl-2,5,8,11,14-pentaoxo-12-propan-2-yl-1,4,7,10,13-pentazacyclooctadec-15-yl]-3-(3-methoxyphenyl)benzamide

Drug info:

PubChemData

Smile

CN1C(=CC=N1)CN2CCCC3(C2)CCC4=CN=C(N=C34)N(C)C

DOS

IR

Vibrations