Geometry & MOs

Info

ID:	391
PubChem CID:	2696
Reduced:	N5O5C27H39 (1)
Stoich.:	A5B5C27D39 (1)
Weight, g/mol:	513.295119
ΔH_f, kcal/mol:	-232.13
Dipole, Da:	6.6
IP(EA), eV:	-9.24(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(6-benzyl-2,5,8,11-tetraoxo-3-propan-2-yl-1,4,7,10-tetrazabicyclo[10.3.0]pentadecan-9-yl)butyl]acetamide

Drug info:

PubChemData

Smile

CC(C)C1C(=O)N2CCCC2C(=O)NC(C(=O)NC(C(=O)N1)CC3=CC=CC=C3)CCCCNC(=O)C

DOS

IR

Vibrations