Geometry & MOs

Info

ID:	218479
PubChem CID:	85089516
Reduced:	O3N6C26H32 (1)
Stoich.:	A3B6C26D32 (1)
Weight, g/mol:	472.291037
ΔH_f, kcal/mol:	-4.68
Dipole, Da:	3.12
IP(EA), eV:	-8.52(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-methylpentanamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C2C(CNN2)C3=NC(=NC=C3)NC4=CC=C(C=C4)OCCN5CCOCC5

DOS

IR

Vibrations