Geometry & MOs

Info

ID:	335657
PubChem CID:	127254519
Reduced:	SN4O4C13H14 (1)
Stoich.:	AB4C4D13E14 (1)
Weight, g/mol:	403.200825
ΔH_f, kcal/mol:	-72.35
Dipole, Da:	2.84
IP(EA), eV:	-8.79(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

COC1=CNC(=CC1=O)C(=O)NC2=NN=C(S2)C3CCCO3

DOS

IR

Vibrations