Geometry & MOs

Info

ID:	45069
PubChem CID:	10507735
Reduced:	BrN2S2C9H18 (2)
Stoich.:	AB2C2D9E18 (2)
Weight, g/mol:	597.295119
ΔH_f, kcal/mol:	21.61
Dipole, Da:	8.74
IP(EA), eV:	-8.11(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(2R)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-4-phenylbutyl]amino]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

C[N+]1(CCN(CC1)C(=S)SCCCCSC(=S)N2CC[N+](CC2)(C)C)C.[Br-].[Br-]

DOS

IR

Vibrations