Geometry & MOs

Info

ID:	152417
PubChem CID:	56311343
Reduced:	SO2N5C25H25 (1)
Stoich.:	AB2C5D25E25 (1)
Weight, g/mol:	410.141262
ΔH_f, kcal/mol:	26.59
Dipole, Da:	12.09
IP(EA), eV:	-8.45(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[2-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]acetyl]amino]phenyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCN(C1)C2=CC=C(C=C2)C#N)CC(=O)NC3=CC=C(C=C3)NC(=O)C4=CC=CS4

DOS

IR

Vibrations