Geometry & MOs

Info

ID:	403315
PubChem CID:	135059707
Reduced:	NOH14C17 (2)
Stoich.:	ABC14D17 (2)
Weight, g/mol:	559.04464
ΔH_f, kcal/mol:	55.22
Dipole, Da:	3.21
IP(EA), eV:	-7.88(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2R,3S,6R)-3-bromo-6-[(4-nitrophenyl)sulfonylamino]-2-thiophen-3-ylazepane-1-carboxylate

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C3=C(C(=C4C5=CC=CC=C5N(C4=C31)C)C6=CC=C(C=C6)OC)C7=CC=C(C=C7)OC

DOS

IR

Vibrations