Geometry & MOs

Info

ID:	245206
PubChem CID:	99437881
Reduced:	SO4N5C20H21 (1)
Stoich.:	AB4C5D20E21 (1)
Weight, g/mol:	455.0593
ΔH_f, kcal/mol:	-79.93
Dipole, Da:	9.87
IP(EA), eV:	-8.9(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[[(2R)-2-[(4-bromobenzoyl)amino]propanoyl]amino]phenyl]pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1C)S(=O)(=O)NC)C(=O)NC2=CC=C(C=C2)N3C=CC(=N3)C(=O)N

DOS

IR

Vibrations