Geometry & MOs

Info

ID:	219141
PubChem CID:	85090849
Reduced:	N4O9C16H24 (1)
Stoich.:	A4B9C16D24 (1)
Weight, g/mol:	602.310435
ΔH_f, kcal/mol:	-400.77
Dipole, Da:	7.05
IP(EA), eV:	-10.4(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[2-[[3-(1H-indol-3-yl)-2-methyl-2-[(2-methylcyclohexyl)oxycarbonylamino]propanoyl]amino]-3-phenylpropyl]amino]-4-oxobut-2-enoate

Drug info:

PubChemData

Smile

CC1CN(C(=O)NC1=O)C2CC(C(O2)CNC(=O)CN(CC(=O)O)CC(=O)O)O

DOS

IR

Vibrations