Geometry & MOs

Info

ID:	191774
PubChem CID:	78187367
Reduced:	SN4O6C37H48 (1)
Stoich.:	AB4C6D37E48 (1)
Weight, g/mol:	404.246378
ΔH_f, kcal/mol:	-202.52
Dipole, Da:	3.46
IP(EA), eV:	-9.28(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,6-dibenzyl-1,3-bis(cyclopropylmethyl)-5-hydroxy-1,3-diazinan-2-one

Drug info:

PubChemData

Smile

CC(C)C(CC1=CC=CC=C1)NC(=O)CC2C(O2)C(CC3=CC=CC=C3)NC(=O)C(C(C)(C)S(=O)(=O)C)NC(=O)NCC4=CC=CC=C4

DOS

IR

Vibrations