Geometry & MOs

Info

ID:	339942
PubChem CID:	127261951
Reduced:	N6O6C25H32 (1)
Stoich.:	A6B6C25D32 (1)
Weight, g/mol:	435.263425
ΔH_f, kcal/mol:	-141.22
Dipole, Da:	10.7
IP(EA), eV:	-9.81(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-6-amino-2-(N-[(2S)-3-(1H-indol-3-yl)-2-(methylamino)propanoyl]-4-methylanilino)hexanamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N(C2=CC=C(C=C2)[N+](=O)[O-])[C@@H](CCCCN)C(=O)N)NC=O

DOS

IR

Vibrations