Geometry & MOs

Info

ID:	152422
PubChem CID:	56311348
Reduced:	SN3O3C26H29 (1)
Stoich.:	AB3C3D26E29 (1)
Weight, g/mol:	395.166748
ΔH_f, kcal/mol:	-70.27
Dipole, Da:	4.54
IP(EA), eV:	-8.28(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[2-[cyclohexyl(prop-2-ynyl)amino]acetyl]amino]phenyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)OC2CCN(CC2)CC(=O)NC3=CC=C(C=C3)NC(=O)C4=CC=CS4

DOS

IR

Vibrations