Geometry & MOs

Info

ID:	347984
PubChem CID:	127273046
Reduced:	ON2C11H17 (2)
Stoich.:	AB2C11D17 (2)
Weight, g/mol:	387.194026
ΔH_f, kcal/mol:	-86.66
Dipole, Da:	5.72
IP(EA), eV:	-8.1(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[2-(4-methylpiperazin-1-yl)propyl]propanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)N2CCCC(C2)C(=O)NCC(C)N3CCN(CC3)C

DOS

IR

Vibrations