Geometry & MOs

Info

ID:	320025
PubChem CID:	126657960
Reduced:	SN4O4C36H48 (1)
Stoich.:	AB4C4D36E48 (1)
Weight, g/mol:	200.116092
ΔH_f, kcal/mol:	-115.21
Dipole, Da:	4.29
IP(EA), eV:	-8.47(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2-hydroxypropanoyl)azetidin-3-yl]propanamide

Drug info:

PubChemData

Smile

CC[C@@H](C=C)NC(=O)[C@@H]1C[C@H](C[C@H]1C(=O)N(C)CCCCC=C)OC2=CC(=NC3=C2C=CC(=C3C)OC)C4=NC(=CS4)C(C)C

DOS

IR

Vibrations