Geometry & MOs

Info

ID:	44359
PubChem CID:	10503127
Reduced:	N3O4C25H31 (1)
Stoich.:	A3B4C25D31 (1)
Weight, g/mol:	437.107913
ΔH_f, kcal/mol:	-143.1
Dipole, Da:	2.65
IP(EA), eV:	-9.13(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-hydroxy-2,2-dimethyl-4-(4-pyridin-4-yloxyphenyl)sulfonyl-1,4-thiazepane-3-carboxamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)N1[C@@H](CN(C1=O)CC2=CC=CC=C2)C(=O)OC(C)(C)C)NCC3=CC=CC=C3

DOS

IR

Vibrations