Geometry & MOs

Info

ID:	242926
PubChem CID:	99214334
Reduced:	SN2O4C23H26 (1)
Stoich.:	AB2C4D23E26 (1)
Weight, g/mol:	489.12632
ΔH_f, kcal/mol:	-135.03
Dipole, Da:	4.41
IP(EA), eV:	-8.92(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-(3-bromophenyl)-3-(carbamoylamino)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]propanamide

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)NC2=C(S1)C=CC(=C2)C(=O)NCC3(CCOCC3)C4=CC=C(C=C4)OC

DOS

IR

Vibrations