Geometry & MOs

Info

ID:	39315
PubChem CID:	8140230
Reduced:	S2N3O3H15C18 (1)
Stoich.:	A2B3C3D15E18 (1)
Weight, g/mol:	399.20323
ΔH_f, kcal/mol:	48.05
Dipole, Da:	8.97
IP(EA), eV:	-9.22(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

dimethyl-[[2-[[(2-morpholin-4-yl-5-nitrobenzoyl)amino]methyl]phenyl]methyl]azanium

Drug info:

PubChemData

Smile

C1CC1NC(=O)[C@H](C2=CC=CC=C2)SC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations