Geometry & MOs

Info

ID:	156532
PubChem CID:	56371027
Reduced:	FOSN6C21H23 (1)
Stoich.:	ABCD6E21F23 (1)
Weight, g/mol:	440.179459
ΔH_f, kcal/mol:	13.22
Dipole, Da:	1.83
IP(EA), eV:	-8.89(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-cyano-1-[(4-fluorophenyl)methyl]-4,5-dimethylpyrrol-2-yl]-2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(N(C(=C1C#N)NC(=O)CSC2=NN=C(N2C)C(C)C)C3=CC=C(C=C3)F)C

DOS

IR

Vibrations