Geometry & MOs

Info

ID:	153209
PubChem CID:	56312369
Reduced:	SO3N4C20H26 (1)
Stoich.:	AB3C4D20E26 (1)
Weight, g/mol:	411.172896
ΔH_f, kcal/mol:	-79.06
Dipole, Da:	9.51
IP(EA), eV:	-7.95(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[2-[(1-methylpyrazol-4-yl)methyl-propan-2-ylamino]acetyl]amino]phenyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CCCN(CC(=O)NC1=CC=C(C=C1)NC(=O)C2=CC=CS2)CC(=O)N(C)C

DOS

IR

Vibrations