Geometry & MOs

Info

ID:	171500
PubChem CID:	75384116
Reduced:	SO2N6C15H16 (1)
Stoich.:	AB2C6D15E16 (1)
Weight, g/mol:	419.278407
ΔH_f, kcal/mol:	54.88
Dipole, Da:	5.1
IP(EA), eV:	-9.16(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(2S)-4-methyl-1-[[3-(morpholin-4-ylmethyl)phenyl]methylamino]-1-oxopentan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(=O)NC1=NC(=CS1)CN(C)CC2=NC(=NO2)C3=CN=CC=C3

DOS

IR

Vibrations