Geometry & MOs

Info

ID:	147481
PubChem CID:	53787137
Reduced:	OSN3C8H15 (1)
Stoich.:	ABC3D8E15 (1)
Weight, g/mol:	544.352575
ΔH_f, kcal/mol:	-29.19
Dipole, Da:	2.26
IP(EA), eV:	-9.19(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-carbamimidoylphenyl)-N-[(1S)-2-[(4-carbamimidoylphenyl)methylamino]-1-cyclohexyl-2-oxoethyl]-2-cyclohexylpropanamide

Drug info:

PubChemData

Smile

CCC1CC1NC(=O)N=C(N)SC

DOS

IR

Vibrations