Geometry & MOs

Info

ID:	154984
PubChem CID:	56314544
Reduced:	BrSN2O2C22H25 (1)
Stoich.:	ABC2D2E22F25 (1)
Weight, g/mol:	446.202799
ΔH_f, kcal/mol:	-45.41
Dipole, Da:	2.3
IP(EA), eV:	-8.51(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzhydryloxy-N-[2-methyl-4-(thiomorpholin-4-ylmethyl)phenyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)CN2CCSCC2)NC(=O)CCC(=O)C3=CC=C(C=C3)Br

DOS

IR

Vibrations