Geometry & MOs

Info

ID:	258558
PubChem CID:	103154947
Reduced:	O2N5C14H19 (1)
Stoich.:	A2B5C14D19 (1)
Weight, g/mol:	423.94563
ΔH_f, kcal/mol:	-24.53
Dipole, Da:	0.52
IP(EA), eV:	-8.76(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(4-amino-3-methoxybutanoyl)amino]-3,5-dibromobenzoate

Drug info:

PubChemData

Smile

CC1=NC(=NN1)C2=CC(=CC=C2)NC(=O)CC(CN)OC

DOS

IR

Vibrations