Geometry & MOs

Info

ID:	379212
PubChem CID:	134356781
Reduced:	N5O5C19H28 (1)
Stoich.:	A5B5C19D28 (1)
Weight, g/mol:	439.187399
ΔH_f, kcal/mol:	-157.45
Dipole, Da:	4.6
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.116040
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(5S)-5-[(3-acetamidobenzoyl)amino]-7-chloro-6-oxoheptyl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCCCC[C@H](C(=O)OC)NC(=O)C1=CC(=CC=C1)N=[N+]=N

DOS

IR

Vibrations