Geometry & MOs

Info

ID:	437084
PubChem CID:	135214606
Reduced:	NPC11H20 (1)
Stoich.:	ABC11D20 (1)
Weight, g/mol:	526.384269
ΔH_f, kcal/mol:	-1.29
Dipole, Da:	2.96
IP(EA), eV:	-7.72(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(butanoylamino)-N-[2-[[1-[[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]amino]-2-methyl-1-oxopropan-2-yl]-propan-2-ylamino]-2-oxoethyl]-4-methylpentanamide

Drug info:

PubChemData

Smile

CCC/C=C/C=PN1CCCC1C

DOS

IR

Vibrations