Geometry & MOs

Info

ID:	340044
PubChem CID:	127262053
Reduced:	N4O5C16H28 (1)
Stoich.:	A4B5C16D28 (1)
Weight, g/mol:	424.198966
ΔH_f, kcal/mol:	-250.31
Dipole, Da:	5.76
IP(EA), eV:	-9.69(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-N-[(2S)-1-amino-1-oxopropan-2-yl]-N-[(3S)-1-chloro-6-(diaminomethylideneamino)-2-oxohexan-3-yl]-3-phenylpropanamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N)N(C)C(=O)CNC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C

DOS

IR

Vibrations