Geometry & MOs

Info

ID:	443575
PubChem CID:	135259387
Reduced:	FSN3O7C30H32 (1)
Stoich.:	ABC3D7E30F32 (1)
Weight, g/mol:	158.105528
ΔH_f, kcal/mol:	-293.37
Dipole, Da:	5.73
IP(EA), eV:	-9.11(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl-(2-methylazetidin-3-yl)carbamic acid

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)N(C(=O)N2CC(C3=CC=CC=C3F)OC4C[C@H]5CC(C[C@H]5C4)O)C(C)(C)C(=O)O)C6=NC=CO6

DOS

IR

Vibrations