Geometry & MOs

Info

ID:	394997
PubChem CID:	135024376
Reduced:	BrNOC19H20 (1)
Stoich.:	ABCD19E20 (1)
Weight, g/mol:	387.295788
ΔH_f, kcal/mol:	-5.78
Dipole, Da:	4.29
IP(EA), eV:	-9.43(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[3-amino-2-[[(2S)-2,5-bis(methylamino)pentanoyl]amino]-3-oxopropyl]-2,5-bis(methylamino)pentanamide

Drug info:

PubChemData

Smile

CC(C)CC1=CC(=CC=C1)C2=C(C=C(C=C2)Br)/C=C/C(=O)N

DOS

IR

Vibrations