Geometry & MOs

Info

ID:	157792
PubChem CID:	56437267
Reduced:	NO2C10H14 (2)
Stoich.:	AB2C10D14 (2)
Weight, g/mol:	412.09977
ΔH_f, kcal/mol:	-147.0
Dipole, Da:	3.29
IP(EA), eV:	-8.89(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[[2-[(3-bromobenzoyl)amino]acetyl]-methylamino]butanoate

Drug info:

PubChemData

Smile

CC(C)CCC(=O)NCC(=O)NC(C1CC1)C2=CC3=C(C=C2)OCCO3

DOS

IR

Vibrations