Geometry & MOs

Info

ID:	49691
PubChem CID:	11533558
Reduced:	BrSO3N6C20H25 (1)
Stoich.:	ABC3D6E20F25 (1)
Weight, g/mol:	508.143282
ΔH_f, kcal/mol:	-37.55
Dipole, Da:	6.32
IP(EA), eV:	-8.52(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,4-dichlorophenyl)-N-[2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-1,3-benzoxazol-5-yl]benzamide

Drug info:

PubChemData

Smile

CC1=NN2C(=CC(=NC2=C1Br)N3CCC[C@@H]3CO)NC4=CC=C(C=C4)S(=O)(=O)N(C)C

DOS

IR

Vibrations