Geometry & MOs

Info

ID:	302438
PubChem CID:	124361747
Reduced:	SO4N5C21H29 (1)
Stoich.:	AB4C5D21E29 (1)
Weight, g/mol:	447.194026
ΔH_f, kcal/mol:	-134.7
Dipole, Da:	6.84
IP(EA), eV:	-8.72(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-2-[[(2R)-2-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonylamino)-4-methylsulfanylbutanoyl]amino]-3-methylpentanoic acid

Drug info:

PubChemData

Smile

CC[C@H](C)[C@H](C(=O)O)NC(=O)[C@@H](CCSC)NC(=O)N1CCN2C1=NC3=CC=CC=C32

DOS

IR

Vibrations