Geometry & MOs

Info

ID:	49365
PubChem CID:	11532921
Reduced:	INSiO5C16H30 (1)
Stoich.:	ABCD5E16F30 (1)
Weight, g/mol:	470.03335
ΔH_f, kcal/mol:	-286.06
Dipole, Da:	5.16
IP(EA), eV:	-9.15(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-bromophenyl)methyl]-2,5-dimethyl-N-[(3R)-2-oxoazepan-3-yl]thiophene-3-sulfonamide

Drug info:

PubChemData

Smile

CCOC(=O)[C@H]([C@@H]1[C@H](N(C(=O)O1)C)[C@@H](C)O[Si](C)(C)C(C)(C)C)I

DOS

IR

Vibrations