Geometry & MOs

Info

ID:	189235
PubChem CID:	77831062
Reduced:	N4O5C21H32 (1)
Stoich.:	A4B5C21D32 (1)
Weight, g/mol:	307.153206
ΔH_f, kcal/mol:	-223.82
Dipole, Da:	9.72
IP(EA), eV:	-9.79(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[2-(carbamoylamino)-4-methylpentanoyl]amino]benzoate

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)N)NC(=O)C(CC(C)C)(C(=O)N)N(C)C1=CC=CC=C1C(=O)O

DOS

IR

Vibrations