Geometry & MOs

Info

ID:	292318
PubChem CID:	114916633
Reduced:	BrNSO3H14C15 (1)
Stoich.:	ABCD3E14F15 (1)
Weight, g/mol:	287.126991
ΔH_f, kcal/mol:	-78.58
Dipole, Da:	6.61
IP(EA), eV:	-9.51(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1-methylpyrazole-4-carbonyl)amino]-4-phenylbutanoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCC(C(=O)O)NC(=O)C2=C(C=CS2)Br

DOS

IR

Vibrations