Geometry & MOs

Info

ID:	438635
PubChem CID:	135228379
Reduced:	O3N5C21H31 (1)
Stoich.:	A3B5C21D31 (1)
Weight, g/mol:	287.19574
ΔH_f, kcal/mol:	-116.03
Dipole, Da:	3.31
IP(EA), eV:	-8.39(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-5-(carbamoylamino)-N-methylpentanamide

Drug info:

PubChemData

Smile

CC(C)C(=O)[C@@H](CCCNC(=O)N)NC(=O)[C@@H](CC1=CNC2=CC=CC=C21)NC

DOS

IR

Vibrations