Geometry & MOs

Info

ID:	244356
PubChem CID:	99344237
Reduced:	N2O5C20H20 (1)
Stoich.:	A2B5C20D20 (1)
Weight, g/mol:	432.06847
ΔH_f, kcal/mol:	-192.59
Dipole, Da:	7.17
IP(EA), eV:	-8.59(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[[(2R)-2-[(4-bromobenzoyl)amino]propanoyl]amino]-2,3-dimethylbenzoate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1C)C(=O)OC)NC(=O)C2=CC3=C(CCCC3=O)NC2=O

DOS

IR

Vibrations