Geometry & MOs

Info

ID:	239719
PubChem CID:	93166937
Reduced:	ClSN3O3C24H32 (1)
Stoich.:	ABC3D3E24F32 (1)
Weight, g/mol:	477.185291
ΔH_f, kcal/mol:	-116.86
Dipole, Da:	0.78
IP(EA), eV:	-8.79(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(4R)-4-[(4-chloro-3-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-1,3-di(propan-2-yl)urea

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OC[C@@H]2C3=C(CCN2C(=O)CN(C(C)C)C(=O)NC(C)C)SC=C3)Cl

DOS

IR

Vibrations