Geometry & MOs

Info

ID:	239640
PubChem CID:	93166831
Reduced:	ClSN3O3C27H30 (1)
Stoich.:	ABC3D3E27F30 (1)
Weight, g/mol:	463.169641
ΔH_f, kcal/mol:	-79.23
Dipole, Da:	3.95
IP(EA), eV:	-8.59(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R)-butan-2-yl]-1-[2-[(4R)-4-[(4-chlorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-3-ethylurea

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)N(CC(=O)N2CCC3=C([C@@H]2COC4=CC=C(C=C4)Cl)C=CS3)C(C)C

DOS

IR

Vibrations