Geometry & MOs

Info

ID:	415928
PubChem CID:	135088930
Reduced:	N3O5C20H25 (1)
Stoich.:	A3B5C20D25 (1)
Weight, g/mol:	673.33363
ΔH_f, kcal/mol:	-139.85
Dipole, Da:	3.81
IP(EA), eV:	-8.33(-0.54)
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]-1-phenyltriazole-4-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)CCOC23CCN(CC3)CC4=C(NN=C4)C(=O)O)OC

DOS

IR

Vibrations