Geometry & MOs

Info

ID:	414560
PubChem CID:	135087519
Reduced:	ON2C9H13 (2)
Stoich.:	AB2C9D13 (2)
Weight, g/mol:	674.328879
ΔH_f, kcal/mol:	-44.84
Dipole, Da:	2.95
IP(EA), eV:	-8.68(0.23)
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]-4-(tetrazol-1-yl)benzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OCC(=O)N(CCN(C)C)CC2=C(NC=N2)C

DOS

IR

Vibrations