Geometry & MOs

Info

ID:	70581
PubChem CID:	48413548
Reduced:	O3N4C19H30 (1)
Stoich.:	A3B4C19D30 (1)
Weight, g/mol:	379.229348
ΔH_f, kcal/mol:	-44.19
Dipole, Da:	5.3
IP(EA), eV:	-8.42(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[5-(diethylamino)pentan-2-ylamino]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide

Drug info:

PubChemData

Smile

CCN(CC)CCCC(C)NC(=O)C1=CC(=C(C=C1)NC2CC2)[N+](=O)[O-]

DOS

IR

Vibrations