Geometry & MOs

Info

ID:	80530
PubChem CID:	49834971
Reduced:	SN3O4C23H29 (1)
Stoich.:	AB3C4D23E29 (1)
Weight, g/mol:	431.151492
ΔH_f, kcal/mol:	-113.59
Dipole, Da:	6.62
IP(EA), eV:	-9.48(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R,4R)-4-(benzenesulfonyl)-N-(1-cyanocyclopropyl)-2-(3-methoxyazetidine-1-carbonyl)cyclopentane-1-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)[C@@H]2C[C@@H](C[C@H]2C(=O)NC3(CC3)C#N)S(=O)(=O)C4=CC=CC=C4

DOS

IR

Vibrations