Geometry & MOs

Info

ID:	418015
PubChem CID:	135103317
Reduced:	O2N3C18H25 (1)
Stoich.:	A2B3C18D25 (1)
Weight, g/mol:	651.305033
ΔH_f, kcal/mol:	-68.16
Dipole, Da:	3.09
IP(EA), eV:	-9.2(0.4)
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-(methanesulfonamido)propanamide

Drug info:

PubChemData

Smile

CC1=C(N=CN1)CN(CCO)C(=O)CCCCC2=CC=CC=C2

DOS

IR

Vibrations