Geometry & MOs

Info

ID:	74435
PubChem CID:	48421873
Reduced:	NSO2C14H21 (1)
Stoich.:	ABC2D14E21 (1)
Weight, g/mol:	390.226705
ΔH_f, kcal/mol:	-55.32
Dipole, Da:	3.31
IP(EA), eV:	-8.93(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[1-oxo-1-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]-3-phenylpropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC1=C(SC=C1)CN(C)C(=O)C(C)OCC2CC2

DOS

IR

Vibrations