Geometry & MOs

Info

ID:	153002
PubChem CID:	56312112
Reduced:	SO2N3C23H25 (1)
Stoich.:	AB2C3D23E25 (1)
Weight, g/mol:	445.182398
ΔH_f, kcal/mol:	-30.25
Dipole, Da:	6.24
IP(EA), eV:	-8.35(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[2-[cyclopropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]acetyl]amino]phenyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CCN(CC(=O)NC1=CC=C(C=C1)NC(=O)C2=CC=CS2)C3=CC(=CC(=C3)C)C

DOS

IR

Vibrations