Geometry & MOs

Info

ID:	135384
PubChem CID:	51864709
Reduced:	SN2O3C21H29 (1)
Stoich.:	AB2C3D21E29 (1)
Weight, g/mol:	388.182064
ΔH_f, kcal/mol:	-68.51
Dipole, Da:	2.7
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.000121
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-4-propan-2-yloxy-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]benzamide

Drug info:

PubChemData

Smile

CC(C)OC1=C(C=C(C=C1)C(=O)NC[C@@H](C2=CC=CS2)[NH+]3CCCC3)OC

DOS

IR

Vibrations