Geometry & MOs

Info

ID:	239635
PubChem CID:	93166824
Reduced:	ClSN3O4C25H28 (1)
Stoich.:	ABC3D4E25F28 (1)
Weight, g/mol:	477.185291
ΔH_f, kcal/mol:	-103.4
Dipole, Da:	4.98
IP(EA), eV:	-8.91(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-tert-butyl-1-[2-[(4R)-4-[(4-chlorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-1-propan-2-ylurea

Drug info:

PubChemData

Smile

CC(C)NC(=O)N(CC1=CC=CO1)CC(=O)N2CCC3=C([C@H]2COC4=CC=C(C=C4)Cl)C=CS3

DOS

IR

Vibrations