Geometry & MOs

Info

ID:	444079
PubChem CID:	135261285
Reduced:	O4N5C16H29 (1)
Stoich.:	A4B5C16D29 (1)
Weight, g/mol:	355.221954
ΔH_f, kcal/mol:	-171.04
Dipole, Da:	9.57
IP(EA), eV:	-9.69(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-2-[[1-[4-(diaminomethylideneamino)butylamino]-4-methyl-1-oxopentan-2-yl]carbamoyl]cyclopropane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NCCCCN=C(N)N)NC(=O)C1CC1C(=O)O

DOS

IR

Vibrations