Geometry & MOs

Info

ID:	46915
PubChem CID:	10528333
Reduced:	ClNSO4H24C25 (1)
Stoich.:	ABCD4E24F25 (1)
Weight, g/mol:	470.289306
ΔH_f, kcal/mol:	-128.22
Dipole, Da:	4.63
IP(EA), eV:	-8.76(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 7-[[6-[N'-(2,2-dimethylpropanoyl)carbamimidoyl]-1H-indole-2-carbonyl]amino]heptanoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)CC1C2=CC=CC=C2C3=CC=CC=C3N1S(=O)(=O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations