Geometry & MOs

Info

ID:	245115
PubChem CID:	99437545
Reduced:	O3N6C23H24 (1)
Stoich.:	A3B6C23D24 (1)
Weight, g/mol:	421.175004
ΔH_f, kcal/mol:	-41.27
Dipole, Da:	12.76
IP(EA), eV:	-8.82(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C[C@H](CN(C1)C2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)N4C=CC(=N4)C(=O)N)C(=O)N

DOS

IR

Vibrations